Crystallography Open Database

Result: there are 163 entries in the selection

Switch to the old layout of the page

Download all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)

Searching journal of publication like 'ACS combinatorial science'

Left arrow Left arrow First | Left arrow Previous 50 | of 4 | Next 50 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

COD ID Blue up arrow Links Formula Up arrow Space group Up arrow Cell parameters Cell volume Up arrow Bibliography
4501438 CIFC15 H15 N3 O SP -110.7281; 11.1802; 14.3213
101.425; 102.836; 112.312		1471.5Zhuang, Qi-Ya; Wang, Xiang; Gao, Yuan; Shi, Feng; Jiang, Bo; Tu, Shu-Jiang
Diversity-oriented synthesis of spiro-substituted 1,3-thiazine library via a one-pot, two-step, three-component reaction.
ACS combinatorial science, 2011, 13, 84-88
4501439 CIFC15 H15 N3 O SP -16.4434; 11.249; 11.3527
115.042; 104.481; 94.405		706.01Zhuang, Qi-Ya; Wang, Xiang; Gao, Yuan; Shi, Feng; Jiang, Bo; Tu, Shu-Jiang
Diversity-oriented synthesis of spiro-substituted 1,3-thiazine library via a one-pot, two-step, three-component reaction.
ACS combinatorial science, 2011, 13, 84-88
4501440 CIFC18 H15 Cl N2C 1 2/c 117.5878; 10.5568; 16.1787
90; 97.404; 90		2978.9Liu, Guannan; Zhou, Yu; Lin, Daizong; Wang, Jinfang; Zhang, Lei; Jiang, Hualiang; Liu, Hong
Synthesis of Pyrrolo[1,2-a]quinoxalines via gold(I)-mediated cascade reactions.
ACS combinatorial science, 2011, 13, 209-213
4501441 CIFC18 H18 F N O3P 1 21/n 17.632; 18.751; 11.424
90; 97.479; 90		1620.95Kantevari, Srinivas; Patpi, Santhosh Reddy; Addla, Dinesh; Putapatri, Siddamal Reddy; Sridhar, Balasubramanian; Yogeeswari, Perumal; Sriram, Dharmarajan
Facile diversity-oriented synthesis and antitubercular evaluation of novel aryl and heteroaryl tethered pyridines and dihydro-6H-quinolin-5-ones derived via variants of the Bohlmann-Rahtz Reaction.
ACS combinatorial science, 2011, 13, 427-435
4501442 CIFC15 H14 Cl N O SP 1 21/n 16.1224; 13.5559; 17.1158
90; 94.031; 90		1417Kantevari, Srinivas; Patpi, Santhosh Reddy; Addla, Dinesh; Putapatri, Siddamal Reddy; Sridhar, Balasubramanian; Yogeeswari, Perumal; Sriram, Dharmarajan
Facile diversity-oriented synthesis and antitubercular evaluation of novel aryl and heteroaryl tethered pyridines and dihydro-6H-quinolin-5-ones derived via variants of the Bohlmann-Rahtz Reaction.
ACS combinatorial science, 2011, 13, 427-435
4501443 CIFC18 H19 N O3P 1 21/c 18.3406; 6.4842; 28.312
90; 98.158; 90		1515.7Kantevari, Srinivas; Patpi, Santhosh Reddy; Addla, Dinesh; Putapatri, Siddamal Reddy; Sridhar, Balasubramanian; Yogeeswari, Perumal; Sriram, Dharmarajan
Facile diversity-oriented synthesis and antitubercular evaluation of novel aryl and heteroaryl tethered pyridines and dihydro-6H-quinolin-5-ones derived via variants of the Bohlmann-Rahtz Reaction.
ACS combinatorial science, 2011, 13, 427-435
4501444 CIFC14 H16 F N O2P n a 2124.984; 7.5435; 13.9681
90; 90; 90		2632.5Kantevari, Srinivas; Patpi, Santhosh Reddy; Addla, Dinesh; Putapatri, Siddamal Reddy; Sridhar, Balasubramanian; Yogeeswari, Perumal; Sriram, Dharmarajan
Facile diversity-oriented synthesis and antitubercular evaluation of novel aryl and heteroaryl tethered pyridines and dihydro-6H-quinolin-5-ones derived via variants of the Bohlmann-Rahtz Reaction.
ACS combinatorial science, 2011, 13, 427-435
4501445 CIFC32 H24 F N O3P 1 21/c 111.89; 17.956; 12.679
90; 113.643; 90		2479.7Aggarwal, Trapti; Imam, Maryam; Kaushik, Naveen K.; Chauhan, Virander S.; Verma, Akhilesh K.
Pyrano[4,3-b]quinolines library generation via iodocyclization and palladium-catalyzed coupling reactions.
ACS combinatorial science, 2011, 13, 530-536
4501446 CIFC22 H16 Cl N3 OI 41/a :222.9061; 22.9061; 14.7776
90; 90; 90		7753.7Wang, Shu-Liang; Ding, Jie; Jiang, Bo; Gao, Yuan; Tu, Shu-Jiang
Microwave-assisted solvent-dependent reaction: chemoselective synthesis of quinoxalin-2(1H)-ones, benzo[d]imidazoles and dipeptides.
ACS combinatorial science, 2011, 13, 572-577
4505627 CIFC19 H17 F N2 O5P 1 21/c 18.3881; 11.532; 18.652
90; 97.916; 90		1787Tan, Darlene Q.; Atherton, Amy L.; Smith, Austin J.; Soldi, Cristian; Hurley, Katherine A.; Fettinger, James C.; Shaw, Jared T.
Synthesis of a γ-Lactam Library via Formal Cycloaddition of Imines and Substituted Succinic Anhydrides.
ACS combinatorial science, 2012, 14, 218-223
4505628 CIFC22 H26 F N3 O5P 1 21/c 113.4864; 20.1959; 16.1652
90; 90.179; 90		4402.9Tan, Darlene Q.; Atherton, Amy L.; Smith, Austin J.; Soldi, Cristian; Hurley, Katherine A.; Fettinger, James C.; Shaw, Jared T.
Synthesis of a γ-Lactam Library via Formal Cycloaddition of Imines and Substituted Succinic Anhydrides.
ACS combinatorial science, 2012, 14, 218-223
4505629 CIFC29 H26.33 Cl3.67 N4 O9P -17.7789; 13.1511; 16.1282
76.669; 84.6; 77.944		1568.2Tan, Darlene Q.; Atherton, Amy L.; Smith, Austin J.; Soldi, Cristian; Hurley, Katherine A.; Fettinger, James C.; Shaw, Jared T.
Synthesis of a γ-Lactam Library via Formal Cycloaddition of Imines and Substituted Succinic Anhydrides.
ACS combinatorial science, 2012, 14, 218-223
4505630 CIFC16 H12 N2 O S4P 1 21/c 18.6868; 12.061; 16.5857
90; 90.843; 90		1737.52Verma, Rajiv Kumar; Verma, Girijesh Kumar; Shukla, Gaurav; Nagaraju, Anugula; Singh, Maya Shankar
4-Dimethylamino Pyridine-Promoted One-Pot Three-Component Regioselective Synthesis of Highly Functionalized 4H-Thiopyrans via Heteroannulation of β-Oxodithioesters.
ACS combinatorial science, 2012, 14, 224-230
4506575 CIFC22 H17 N3 O2P 1 21/c 110.9445; 17.8505; 9.2774
90; 104.951; 90		1751.12Xu, Zhigang; Ayaz, Muhammad; Cappelli, Alexandra A.; Hulme, Christopher
General One-pot, Two-Step Protocol Accessing a Range of Novel Polycyclic Heterocycles with High Skeletal Diversity.
ACS combinatorial science, 2012, 14, 460-464
4506576 CIFC21 H19 F3 N4 O2P 1 21/c 113.1973; 14.8812; 10.1948
90; 110.978; 90		1869.47Xu, Zhigang; Ayaz, Muhammad; Cappelli, Alexandra A.; Hulme, Christopher
General One-pot, Two-Step Protocol Accessing a Range of Novel Polycyclic Heterocycles with High Skeletal Diversity.
ACS combinatorial science, 2012, 14, 460-464
4506577 CIFC19 H24 O3P 21 21 216.1622; 8.8128; 29.313
90; 90; 90		1591.9Xue, Wei-Jian; Li, Qi; Gao, Fang-Fang; Zhu, Yan-Ping; Wang, Jun-Gang; Zhang, Wei; Wu, An-Xin
Diversity-Oriented Synthesis of Chromenes via Metal-Free Domino Reactions from Ketones and Phenols.
ACS combinatorial science, 2012, 14, 478-483
4506578 CIFC15 H20 O3P b c a22.398; 15.1572; 23.824
90; 90; 90		8088Xue, Wei-Jian; Li, Qi; Gao, Fang-Fang; Zhu, Yan-Ping; Wang, Jun-Gang; Zhang, Wei; Wu, An-Xin
Diversity-Oriented Synthesis of Chromenes via Metal-Free Domino Reactions from Ketones and Phenols.
ACS combinatorial science, 2012, 14, 478-483
4506579 CIFC23 H18 Cl2 O3P 16.801; 8.232; 28.08
95.03; 90.61; 91.551		1565Xue, Wei-Jian; Li, Qi; Gao, Fang-Fang; Zhu, Yan-Ping; Wang, Jun-Gang; Zhang, Wei; Wu, An-Xin
Diversity-Oriented Synthesis of Chromenes via Metal-Free Domino Reactions from Ketones and Phenols.
ACS combinatorial science, 2012, 14, 478-483
4506580 CIFC23 H28 O6P 1 21/c 18.9227; 14.534; 15.883
90; 92.475; 90		2057.8Xue, Wei-Jian; Li, Qi; Gao, Fang-Fang; Zhu, Yan-Ping; Wang, Jun-Gang; Zhang, Wei; Wu, An-Xin
Diversity-Oriented Synthesis of Chromenes via Metal-Free Domino Reactions from Ketones and Phenols.
ACS combinatorial science, 2012, 14, 478-483
4506581 CIFC17 H24 O3P 1 21/n 18.362; 16.147; 11.767
90; 96.513; 90		1578.5Xue, Wei-Jian; Li, Qi; Gao, Fang-Fang; Zhu, Yan-Ping; Wang, Jun-Gang; Zhang, Wei; Wu, An-Xin
Diversity-Oriented Synthesis of Chromenes via Metal-Free Domino Reactions from Ketones and Phenols.
ACS combinatorial science, 2012, 14, 478-483
4507134 CIFC14 H16 Br N O3P 21 21 215.6996; 12.8774; 18.4471
90; 90; 90		1353.9Gerard, Baudouin; O'Shea, Morgan Welzel; Donckele, Etienne; Kesavan, Sarathy; Akella, Lakshmi B.; Xu, Hao; Jacobsen, Eric N.; Marcaurelle, Lisa A.
Application of a catalytic asymmetric Povarov reaction using chiral ureas to the synthesis of a tetrahydroquinoline library.
ACS combinatorial science, 2012, 14, 621-630
4507419 CIFC21 H24 N2 O5P 21 21 219.2552; 10.3088; 20.2933
90; 90; 90		1936.2Nandurkar, Nitin S.; Kumar, N. N. Bhuvan; Mukhina, Olga A.; Kutateladze, Andrei G.
Photoassisted Access to Enantiopure Conformationally Locked Ribofuranosylamines Spiro-Linked to Oxazolidino-Diketopiperazines.
ACS Combinatorial Science, 2013, 15, 73
4507420 CIFC22 H19 N2 O5P 21 21 217.4316; 22.6244; 10.7533
90; 90; 90		1808.01Nandurkar, Nitin S.; Kumar, N. N. Bhuvan; Mukhina, Olga A.; Kutateladze, Andrei G.
Photoassisted Access to Enantiopure Conformationally Locked Ribofuranosylamines Spiro-Linked to Oxazolidino-Diketopiperazines.
ACS Combinatorial Science, 2013, 15, 73
4507421 CIFC20 H23 N2 O4 SP 21 21 217.9958; 10.2771; 22.7057
90; 90; 90		1865.81Nandurkar, Nitin S.; Kumar, N. N. Bhuvan; Mukhina, Olga A.; Kutateladze, Andrei G.
Photoassisted Access to Enantiopure Conformationally Locked Ribofuranosylamines Spiro-Linked to Oxazolidino-Diketopiperazines.
ACS Combinatorial Science, 2013, 15, 73
4507422 CIFC16 H14 N2 O5P 15.373; 9.8442; 13.799
72.286; 89.897; 89.973		695.26Nandurkar, Nitin S.; Kumar, N. N. Bhuvan; Mukhina, Olga A.; Kutateladze, Andrei G.
Photoassisted Access to Enantiopure Conformationally Locked Ribofuranosylamines Spiro-Linked to Oxazolidino-Diketopiperazines.
ACS Combinatorial Science, 2013, 15, 73
4507423 CIFC22 H18 N2 O5P 21 21 217.2733; 11.3442; 22.914
90; 90; 90		1890.63Nandurkar, Nitin S.; Kumar, N. N. Bhuvan; Mukhina, Olga A.; Kutateladze, Andrei G.
Photoassisted Access to Enantiopure Conformationally Locked Ribofuranosylamines Spiro-Linked to Oxazolidino-Diketopiperazines.
ACS Combinatorial Science, 2013, 15, 73
4507424 CIFC19 H17 N2 O5P 21 21 218.9205; 12.2652; 15.6666
90; 90; 90		1714.11Nandurkar, Nitin S.; Kumar, N. N. Bhuvan; Mukhina, Olga A.; Kutateladze, Andrei G.
Photoassisted Access to Enantiopure Conformationally Locked Ribofuranosylamines Spiro-Linked to Oxazolidino-Diketopiperazines.
ACS Combinatorial Science, 2013, 15, 73
4507425 CIFC20 H20 N2 O5P 21 21 218.4613; 11.7986; 17.321
90; 90; 90		1729.18Nandurkar, Nitin S.; Kumar, N. N. Bhuvan; Mukhina, Olga A.; Kutateladze, Andrei G.
Photoassisted Access to Enantiopure Conformationally Locked Ribofuranosylamines Spiro-Linked to Oxazolidino-Diketopiperazines.
ACS Combinatorial Science, 2013, 15, 73
4507426 CIFC14 H19 N O5P 17.1189; 7.5252; 8.242
104.816; 115.534; 96.832		371.632Nandurkar, Nitin S.; Kumar, N. N. Bhuvan; Mukhina, Olga A.; Kutateladze, Andrei G.
Photoassisted Access to Enantiopure Conformationally Locked Ribofuranosylamines Spiro-Linked to Oxazolidino-Diketopiperazines.
ACS Combinatorial Science, 2013, 15, 73
4507427 CIFC19 H18 N2 O4 SP 21 21 218.8621; 9.5987; 20.0726
90; 90; 90		1707.47Nandurkar, Nitin S.; Kumar, N. N. Bhuvan; Mukhina, Olga A.; Kutateladze, Andrei G.
Photoassisted Access to Enantiopure Conformationally Locked Ribofuranosylamines Spiro-Linked to Oxazolidino-Diketopiperazines.
ACS Combinatorial Science, 2013, 15, 73
4507428 CIFC20 H13 Cl N2 O3 SP -17.942; 9.763; 12.245
93.077; 95.394; 108.561		892.6Zhao, Yongmei; Dai, Qiaoling; Chen, Zhi; Zhang, Qihui; Bai, Yongcheng; Ma, Chen
One Pot Regioselective Synthesis of a Small Library of Dibenzo[b,f][1,4]thiazepin-11(10H)-ones via Smiles Rearrangement.
ACS combinatorial science, 2013, 15, 130-134
4507429 CIFC32 H30 N2 O2C 1 2/c 128.65; 10.0714; 19.8284
90; 114.854; 90		5191.5Fu, Li-Ping; Shi, Qing-Qing; Shi, Yu; Jiang, Bo; Tu, Shu-Jiang
Three-Component Domino Reactions for Regioselective Formation of Bis-indole Derivatives.
ACS combinatorial science, 2013, 15, 135-140
4507430 CIFC37 H31 F N2 OP 1 21/c 113.3429; 22.031; 10.8285
90; 112.944; 90		2931.3Fu, Li-Ping; Shi, Qing-Qing; Shi, Yu; Jiang, Bo; Tu, Shu-Jiang
Three-Component Domino Reactions for Regioselective Formation of Bis-indole Derivatives.
ACS combinatorial science, 2013, 15, 135-140
4507766 CIFC20 H17 F3 N2 O3P 1 21/c 17.663; 8.714; 28.376
90; 93.862; 90		1890.5Lv, Longyun; Zheng, Sichao; Cai, Xiaotie; Chen, Zhipeng; Zhu, Qiuhua; Liu, Shuwen
Development of four-component synthesis of tetra- and pentasubstituted polyfunctional dihydropyrroles: free permutation and combination of aromatic and aliphatic amines.
ACS combinatorial science, 2013, 15, 183-192
4507878 CIFC27 H27 N O4P 1 21/c 19.037; 19.075; 13.32
90; 98.377; 90		2271.6Mehta, Saurabh; Waldo, Jesse P.; Neuenswander, Benjamin; Lushington, Gerald H.; Larock, Richard C.
Solution-Phase Parallel Synthesis of a Multisubstituted Cyclic Imidate Library
ACS Combinatorial Science, 2013, 15, 247
4507879 CIFC28 H33 N5 O5P -111.5599; 11.5774; 11.8719
87.024; 84.869; 60.309		1374.7Li, Chao; Mu, Xing-Ye; Li, Yu-Ling; Liu, Yun; Wang, Xiang-Shan
Combinatorial Synthesis of Fused Tetracyclic Heterocycles Containing [1,6]Naphthyridine Derivatives under Catalyst Free Conditions
ACS Combinatorial Science, 2013, 15, 267
4507880 CIFC28 H31 N5 O6P -110.7946; 11.2049; 12.5004
94.181; 97.556; 112.765		1369.33Li, Chao; Mu, Xing-Ye; Li, Yu-Ling; Liu, Yun; Wang, Xiang-Shan
Combinatorial Synthesis of Fused Tetracyclic Heterocycles Containing [1,6]Naphthyridine Derivatives under Catalyst Free Conditions
ACS Combinatorial Science, 2013, 15, 267
4508107 CIFC19 H16 N4P -18.7517; 13.6019; 14.2104
103.154; 107.059; 92.307		1564.3Val, Cristina; Crespo, Abel; Yaziji, Vicente; Coelho, Alberto; Azuaje, Jhonny; El Maatougui, Abdelaziz; Carbajales, Carlos; Sotelo, Eddy
Three-Component Assembly of Structurally Diverse 2-Aminopyrimidine-5-carbonitriles
ACS Combinatorial Science, 2013, 15, 370
4508108 CIFC27.5 H33 N3 O3P n a 2113.2429; 15.8911; 22.1933
90; 90; 90		4670.5Granger, Brett A.; Wang, Zhiqian; Kaneda, Kyosuke; Fang, Zhenglai; Martin, Stephen F.
Multicomponent Assembly Processes for the Synthesis of DiverseYohimbineandCorynantheAlkaloid Analogues
ACS Combinatorial Science, 2013, 15, 379
4508354 CIFC20 H14 Cl N2P 1 21/n 16.3864; 14.638; 16.774
90; 97.37; 90		1555.1Yang, Kai; Xiang, Jinbao; Bao, Guochen; Dang, Qun; Bai, Xu
Synthesis of Highly Substituted 4H-Pyrido[1,2-a]pyrimidines via a One-Pot Three-Component Condensation Reaction.
ACS combinatorial science, 2013, 15, 519-524
4508359 CIFC11 H12 N2 O3 S3P 21 21 214.65; 13.822; 21.585
90; 90; 90		1387Shestopalov, Anatoliy M.; Larionova, Natalia A.; Fedorov, Alexander E.; Rodinovskaya, Lyudmila A.; Mortikov, Valery Yu.; Zubarev, Andrey A.; Bushmarinov, Ivan S.
Synthesis of Isomeric Isothiazolo[4′,3′:4,5]- and Isothiazolo[4′,5′:4,5]thieno[3,2-b]pyrano[2,3-d]pyridines by Combination of Domino Reactions
ACS Combinatorial Science, 2013, 15, 541
4508360 CIFC11 H12 N2 O3 S3P 1 21/c 123.16; 4.6826; 13.811
90; 99.849; 90		1475.7Shestopalov, Anatoliy M.; Larionova, Natalia A.; Fedorov, Alexander E.; Rodinovskaya, Lyudmila A.; Mortikov, Valery Yu.; Zubarev, Andrey A.; Bushmarinov, Ivan S.
Synthesis of Isomeric Isothiazolo[4′,3′:4,5]- and Isothiazolo[4′,5′:4,5]thieno[3,2-b]pyrano[2,3-d]pyridines by Combination of Domino Reactions
ACS Combinatorial Science, 2013, 15, 541
4508361 CIFC25 H30 N4 O2P 1 21 18.6381; 10.9354; 12.3989
90; 100.365; 90		1152.1Hsiao, Ya-Shan; Narhe, Bharat D.; Chang, Ying-Sheng; Sun, Chung-Ming
One-Pot, Two-Step Synthesis of Imidazo[1,2-a]benzimidazoles via A Multicomponent [4 + 1] Cycloaddition Reaction
ACS Combinatorial Science, 2013, 15, 551
4509850 CIFC14 H11 F O4P 1 21/c 14.964; 23.85; 10.416
90; 101.338; 90		1209.1Yu, Guanping; Kuo, David; Shoham, Menachem; Viswanathan, Rajesh
Combinatorial Synthesis and in Vitro Evaluation of a Biaryl Hydroxyketone Library as Antivirulence Agents against MRSA.
ACS combinatorial science, 2014, 16, 85-91
4509851 CIFC15 H14 O4P c a 2126.329; 6.6241; 7.3619
90; 90; 90		1284Yu, Guanping; Kuo, David; Shoham, Menachem; Viswanathan, Rajesh
Combinatorial Synthesis and in Vitro Evaluation of a Biaryl Hydroxyketone Library as Antivirulence Agents against MRSA.
ACS combinatorial science, 2014, 16, 85-91
4510038 CIFC31 H20 Cl2 N2 O3 SP 1 21/n 110.912; 15.206; 16.341
90; 95.182; 90		2700.3Yang, Jin-Ming; Hu, Yu; Li, Qiang; Yu, Fan; Cao, Jian; Fang, Dong; Huang, Zhi-Bin; Shi, Da-Qing
Efficient and regioselective synthesis of novel functionalized dispiropyrrolidines and their cytotoxic activities.
ACS combinatorial science, 2014, 16, 139-145
4510039 CIFC30 H21 N3 O5P -17.8331; 10.443; 16.69
101.953; 94.064; 111.538		1226.1Yang, Jin-Ming; Hu, Yu; Li, Qiang; Yu, Fan; Cao, Jian; Fang, Dong; Huang, Zhi-Bin; Shi, Da-Qing
Efficient and regioselective synthesis of novel functionalized dispiropyrrolidines and their cytotoxic activities.
ACS combinatorial science, 2014, 16, 139-145
4510218 CIFC40 H35 Br N6 O7P -112.4676; 13.1793; 13.4844
63.668; 76.613; 78.042		1917.9Shaabani, Shabnam; Shaabani, Ahmad; Ng, Seik Weng
One-Pot Synthesis of Coumarin-3-carboxamides Containing a Triazole Ring via an Isocyanide-Based Six-Component Reaction.
ACS combinatorial science, 2014, 16, 176-183
4510219 CIFC42 H41 Br N6 O8 SP 1 21/c 114.2931; 21.7265; 14.7749
90; 111.905; 90		4256.9Shaabani, Shabnam; Shaabani, Ahmad; Ng, Seik Weng
One-Pot Synthesis of Coumarin-3-carboxamides Containing a Triazole Ring via an Isocyanide-Based Six-Component Reaction.
ACS combinatorial science, 2014, 16, 176-183
4510220 CIFC41 H38 Br N5 O5P 1 21/c 114.81; 9.6105; 26.577
90; 104.266; 90		3666.1Shaabani, Shabnam; Shaabani, Ahmad; Ng, Seik Weng
One-Pot Synthesis of Coumarin-3-carboxamides Containing a Triazole Ring via an Isocyanide-Based Six-Component Reaction.
ACS combinatorial science, 2014, 16, 176-183

Left arrow Left arrow First | Left arrow Previous 50 | of 4 | Next 50 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

Back to the search form
Your own data is not in the COD? Deposit it, thanks!
Top of the page
All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License . Users of the data should acknowledge the original authors of the structural data.